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Research Scientist-Computational Chemist

San Diego, California

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Req ID R-8451 Title Research Scientist-Computational Chemist City San Diego State / Province California Country United States

At Lilly, we unite caring with discovery to make life better for people around the world. We are a global healthcare leader headquartered in Indianapolis, Indiana. Our 39,000 employees around the world work to discover and bring life-changing medicines to those who need them, improve the understanding and management of disease, and give back to our communities through philanthropy and volunteerism. We give our best effort to our work, and we put people first. We’re looking for people who are determined to make life better for people around the world.

The Discovery Chemistry Research and Technology (DCRT) organization within the Lilly Research Labs is a small molecule focused organization that spans from target identification to clinical candidate selection. The Computational Chemistry group within the DCRT organization is seeking a motivated computational scientist to join our team. We are growing and looking for an individual who has demonstrated experience in utilizing computational techniques in small molecule structure-based design. You will be a key driver of interdisciplinary drug discovery project teams and propel utilization of computational chemistry methods in projects. We are an innovative and dynamic team looking to enhance our diverse capabilities in drug discovery. We are committed to continually improving our abilities to make life better for patients around the globe. Are you looking to do meaningful work in a fantastic collaborative environment? Our commitment to our employees, patients and communities is unmatched, and we want you to be a part of our team.

We need a scientist who can:

  • Generate and build computational models to help direct synthetic strategies, idea generation and prioritization.
  • Champion broad utilization of free energy methods across discovery research
  • Use leading computational techniques to study protein motions, protein-ligand interactions, or protein-protein interactions to understand binding and enable structural design of new molecules.
  • Apply computational techniques such as conformational analysis, structure searches, docking, molecular dynamics simulations, homology modeling, pharmacophore modeling, free energy perturbation, machine learning, virtual screening and advanced data analytics.
  • Collaborate as part of a multidisciplinary team (medicinal chemists, structural biologists, biologists, statisticians, toxicologists) providing computational expertise to advance drug discovery projects.
  • Perform large scale data extraction, manipulation, and merging of multiple data sets for statistical analysis and scoring.
  • Script workflows in various computational software to efficiently perform molecular calculations.
  • Develop a deep understanding and practical, working knowledge of computational chemistry software suites such as MOE, Schrodinger, CHARMM, AMBER, Cresset, Knime, ChemAxon, Macromodel, and Gaussian to apply to computational research.
  • Contribute to the development and training of desktop applications for medicinal chemists by developing scripts or workflows for efficient use of software.

Basic Qualifications :

  • Ph.D. in Computer Science, Cheminformatics, Computational Chemistry, Bioinformatics or related field

Additional Skills/Preferences :

  • Strong foundation in organic chemistry or physical chemistry is required
  • Two or more years of academic or industrial experience working in a highly collaborative team.
  • Experience in utilization of Molecular Dynamics in protein systems.
  • Experience in scripting or programming languages such as Python, Perl, or C/C++.
  • Strong oral and written communication skills, organizational and leadership skills.

Additional Information :

  • The position may require working in an area with allergens and potentially hazardous materials (PHM).
  • The position will involve occasional travel to other research sites to understand and support global Discovery business.

Eli Lilly and Company, Lilly USA, LLC and our wholly owned subsidiaries (collectively “Lilly”) are committed to help individuals with disabilities to participate in the workforce and ensure equal opportunity to compete for jobs. If you require an accommodation to submit a resume for positions at Lilly, please email Lilly Human Resources ( ) for further assistance. Please note This email address is intended for use only to request an accommodation as part of the application process. Any other correspondence will not receive a response.

Lilly is an EEO/Affirmative Action Employer and does not discriminate on the basis of age, race, color, religion, gender, sexual orientation, gender identity, gender expression, national origin, protected veteran status, disability or any other legally protected status.

To submit resume, visit and apply to Req ID R-8451.

Lilly is an EEO/Affirmative Action Employer and does not discriminate on the basis of age, race, color, religion, gender, sexual orientation, gender identity, gender expression, national origin, protected veteran status, disability or any other legally protected status.

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